Basic information
- CAS
40680-72-6- Standard SMILES
COc1c(C(O)CCc2ccccc2)c(OCC[NH+](C)C)c(OC)c2occc12.O=C([O-])C(=O)O- InChIKey
SAJDXJADXKOKPC-UHFFFAOYSA-N- Molecular formula
- C25H31NO9
- Average molar mass
- 489.5 g/mol
- Monoisotopic mass
- 489.19988157
Names & identifiers
- Preferred name
- 5-benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-phenylethyl)-, oxalate (1:1) (salt)
- IUPAC
- 2-hydroxy-2-oxoacetate;2-[[5-(1-hydroxy-3-phenylpropyl)-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium
Names & synonyms
40680-72-65-Benzofuranmethanol, 4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-alpha-(2-phenylethyl)-, oxalate (1:1) (salt)RefChem:301184
Database identifiers
- CAS
40680-72-6- PubChem CID
- 38577
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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